[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C26H27Cl2N3O2S — CID 58007116

About [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 58007116) has the molecular formula C26H27Cl2N3O2S and a molecular weight of 516.49 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• PubChem CID: 58007116
• Molecular Formula: C26H27Cl2N3O2S
• Molecular Weight: 516.49 g/mol
• Exact Mass: 515.12
• IUPAC Name: [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• SMILES: CC(C)C1=C(C(=O)N2CC[C@@H](O)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C26H27Cl2N3O2S/c1-15(2)21-22(24(33)30-13-12-20(32)14-30)34-25-29-26(3,17-6-10-19(28)11-7-17)23(31(21)25)16-4-8-18(27)9-5-16/h4-11,15,20,23,32H,12-14H2,1-3H3/t20-,23?,26?/m1/s1
• InChIKey: LGQJIJMETLFEIL-GZSFQLOGSA-N
• XLogP: 5.83
• TPSA: 56.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.49
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The IUPAC name of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 58007116) is [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

What is the SMILES notation for [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The canonical SMILES for [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CC(C)C1=C(C(=O)N2CC[C@@H](O)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.

What is the InChIKey of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The InChIKey is LGQJIJMETLFEIL-GZSFQLOGSA-N. The full InChI is InChI=1S/C26H27Cl2N3O2S/c1-15(2)21-22(24(33)30-13-12-20(32)14-30)34-25-29-26(3,17-6-10-19(28)11-7-17)23(31(21)25)16-4-8-18(27)9-5-16/h4-11,15,20,23,32H,12-14H2,1-3H3/t20-,23?,26?/m1/s1.

What are the key properties of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 516.49 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 58007116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).